N-acetyl-N-methylacetamide

• ChemBase ID: 111993
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: CN(C(=O)C)C(=O)C
• Canonical SMILES: CN(C(=O)C)C(=O)C
• InChI: InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3
• InChIKey: ZNQFZPCFVNOXJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-acetyl-N-methylacetamide
• IUPAC Traditional name: acetamide, N-acetyl-N-methyl-
• Synonyms: N-Methyldiacetamide; N-METHYL DIACETAMIDE; N-甲基二乙酰胺

Database IDs

• CAS Number: 1113-68-4
• EC Number: 214-207-0
• MDL Number: MFCD00014968
• PubChem SID: 162097260
• PubChem CID: 14214

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.81800395
• LogD (pH = 7.4): -0.81800395
• Log P: -0.81800395
• Molar Refractivity: 28.9285 cm^3
• Polarizability: 11.2685585 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 192-194°C
• Density: 1.06
• Refractive Index: 1.4530

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 90+%